6-chloro-N-(2-chloro-5-methylphenyl)-5-ethylpyrimidin-4-amine

C13H13Cl2N3 — CID 107637059

IUPAC6-chloro-N-(2-chloro-5-methylphenyl)-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1Nc1cc(C)ccc1Cl
InChIInChI=1S/C13H13Cl2N3/c1-3-9-12(15)16-7-17-13(9)18-11-6-8(2)4-5-10(11)14/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyQSEXOQQLDIBJCG-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.40
Rot. Bonds3

About 6-chloro-N-(2-chloro-5-methylphenyl)-5-ethylpyrimidin-4-amine

6-chloro-N-(2-chloro-5-methylphenyl)-5-ethylpyrimidin-4-amine (PubChem CID 107637059) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is 6-chloro-N-(2-chloro-5-methylphenyl)-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-chloro-5-methylphenyl)-5-ethylpyrimidin-4-amine
PubChem CID107637059
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Name6-chloro-N-(2-chloro-5-methylphenyl)-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1Nc1cc(C)ccc1Cl
InChIInChI=1S/C13H13Cl2N3/c1-3-9-12(15)16-7-17-13(9)18-11-6-8(2)4-5-10(11)14/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyQSEXOQQLDIBJCG-UHFFFAOYSA-N
XLogP4.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 55229482
6-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylpyrimidin-4-amine
CID 63735092
6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine
CID 63735436
6-chloro-5-ethyl-N-(5-fluoro-2-methylphenyl)pyrimidin-4-amine
CID 55228721
N-(2-bromo-5-chlorophenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 81275227
6-chloro-N-(3,4-dimethylphenyl)-5-ethylpyrimidin-4-amine
CID 63735587
6-chloro-N-(2,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine
CID 63734399
6-chloro-N-(1,3-dimethylpyrazol-4-yl)-5-ethylpyrimidin-4-amine
CID 102806833
6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-propylpyrimidin-4-amine
CID 104727823
N-(4-bromo-3,5-dimethylphenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 107576834
6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine
CID 64695768
6-chloro-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidin-4-amine
CID 83087255

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-chloro-5-methylphenyl)-5-ethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-chloro-5-methylphenyl)-5-ethylpyrimidin-4-amine (CID 107637059) is 6-chloro-N-(2-chloro-5-methylphenyl)-5-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-chloro-5-methylphenyl)-5-ethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-chloro-5-methylphenyl)-5-ethylpyrimidin-4-amine is CCc1c(Cl)ncnc1Nc1cc(C)ccc1Cl.
What is the InChIKey of 6-chloro-N-(2-chloro-5-methylphenyl)-5-ethylpyrimidin-4-amine?
The InChIKey is QSEXOQQLDIBJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-3-9-12(15)16-7-17-13(9)18-11-6-8(2)4-5-10(11)14/h4-7H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(2-chloro-5-methylphenyl)-5-ethylpyrimidin-4-amine?
6-chloro-N-(2-chloro-5-methylphenyl)-5-ethylpyrimidin-4-amine has a molecular weight of 282.17 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-chloro-5-methylphenyl)-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 107637059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).